4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine

C160H260FN37O5S2 — CID 160772628

IUPAC4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine
SMILESCC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncnc1.CC(C)c1ccc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.CN(C)c1ncc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C11H17N.C10H17N3.2C9H14N2.C9H15NO.C8H10FN.C8H13N3.C8H14N2.C8H12N2.C8H14N2.C8H12N2.C8H13NS.C8H13N.C7H13N3.3C7H12N2O.C7H11NO.C7H11NS.C6H11N3/c1-8-6-10(11(3,4)5)7-9(2)12-8;1-10(2,3)8-6-11-9(12-7-8)13(4)5;2*1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)7-3-8(9)5-10-4-7;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5-8-9-6(10-5)7(2,3)4;2*1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6/h6-7H,1-5H3;6-7H,1-5H3;2*5-6H,1-4H3;1-5H3;3-6H,1-2H3;4-5H,1-3H3,(H2,9,10,11);5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3*1-4H3;3*4-5H,1-3H3
InChIKeyRZNCVCICGPPIQY-UHFFFAOYSA-N
MW2865.23 g/mol
LogP38.97
Rot. Bonds8

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine (PubChem CID 160772628) has the molecular formula C160H260FN37O5S2 and a molecular weight of 2865.23 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine
PubChem CID160772628
Molecular FormulaC160H260FN37O5S2
Molecular Weight2865.23 g/mol
Exact Mass2863.07
IUPAC Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine
SMILESCC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncnc1.CC(C)c1ccc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.CN(C)c1ncc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1
InChIInChI=1S/C11H17N.C10H17N3.2C9H14N2.C9H15NO.C8H10FN.C8H13N3.C8H14N2.C8H12N2.C8H14N2.C8H12N2.C8H13NS.C8H13N.C7H13N3.3C7H12N2O.C7H11NO.C7H11NS.C6H11N3/c1-8-6-10(11(3,4)5)7-9(2)12-8;1-10(2,3)8-6-11-9(12-7-8)13(4)5;2*1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)7-3-8(9)5-10-4-7;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5-8-9-6(10-5)7(2,3)4;2*1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6/h6-7H,1-5H3;6-7H,1-5H3;2*5-6H,1-4H3;1-5H3;3-6H,1-2H3;4-5H,1-3H3,(H2,9,10,11);5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3*1-4H3;3*4-5H,1-3H3
InChIKeyRZNCVCICGPPIQY-UHFFFAOYSA-N
XLogP38.97
TPSA526.87 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds8
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002865.23
LogP ≤ 538.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 118537142
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537225
CID 157624150
CID 157624150
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
CID 158667217
CID 158667217
3-Cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158967732
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
CID 159316014
CID 159327153
CID 159327153
4,5-Dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine
CID 159533133
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine (CID 160772628) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine is CC(C)(C)c1cnc(N)nc1.CC(C)(C)c1cncnc1.CC(C)c1ccc(N)nc1.CC(C)c1cncc(F)c1.CC(C)c1ncn(C)n1.CC1=NCC(C(C)C)=C1.CN(C)c1ncc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)cc(C)n1.Cc1cc(C(C)C)no1.Cc1nc(C)c(C(C)C)s1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)C)s1.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.Cn1ncc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine?
The InChIKey is RZNCVCICGPPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H17N3.2C9H14N2.C9H15NO.C8H10FN.C8H13N3.C8H14N2.C8H12N2.C8H14N2.C8H12N2.C8H13NS.C8H13N.C7H13N3.3C7H12N2O.C7H11NO.C7H11NS.C6H11N3/c1-8-6-10(11(3,4)5)7-9(2)12-8;1-10(2,3)8-6-11-9(12-7-8)13(4)5;2*1-7-10-5-8(6-11-7)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-6(2)7-3-8(9)5-10-4-7;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)7-3-4-8(9)10-5-7;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-4-7(3)9-5-8;1-7(2,3)6-5-8-10(4)9-6;1-5-8-9-6(10-5)7(2,3)4;2*1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-4-6(3)9-8-7;1-5(2)7-4-8-6(3)9-7;1-5(2)6-7-4-9(3)8-6/h6-7H,1-5H3;6-7H,1-5H3;2*5-6H,1-4H3;1-5H3;3-6H,1-2H3;4-5H,1-3H3,(H2,9,10,11);5-6H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;3-6H,1-2H3,(H2,9,10);5H,1-4H3;4,6H,5H2,1-3H3;5H,1-4H3;3*1-4H3;3*4-5H,1-3H3.
What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine?
4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine has a molecular weight of 2865.23 g/mol, XLogP of 38.97, 8 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-N,N-dimethylpyrimidin-2-amine;4-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;bis(5-tert-butyl-3-methyl-1,2,4-oxadiazole);3-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyrimidine);4-tert-butyl-2-methyltriazole;5-tert-butylpyrimidin-2-amine;5-tert-butylpyrimidine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-2H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 160772628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).